Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate
TL;DR: Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate (CAS 1025562-02-0) is a chemical compound with molecular formula C13H12F3N3O2S and molecular weight 331.06024 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)-4,4,4-trifluorobutanoate
Also Known As: Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate, ethyl 3-(1,3-benzothiazol-2-ylhydrazono)-4,4,4-trifluoro-butanoate, ethyl 3-(1,3-benzothiazol-2-ylhydrazinylidene)-4,4,4-trifluorobutanoate, Ethyl 3-(benzothiazol-2-ylhydrazinylidene)-4,4,4-trifluoro-butanoate, ethyl (3Z)-3-[2-(1,3-benzothiazol-2-yl)hydrazin-1-ylidene]-4,4,4-trifluorobutanoate
Technical Specifications
| Molecular Formula | C13H12F3N3O2S |
| Molecular Weight | 331.06024 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 91.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.06024 Da |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
| SMILES | CCOC(=O)CC(=NNC1=NC2=CC=CC=C2S1)C(F)(F)F |
| InChIKey | MLRSLWLUJQYVJE-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate
Property Insights of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate
The XLogP value of 4.4 indicates that Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate. Following Lipinski's Rule of Five, Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate?
The CAS number of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate is 1025562-02-0.
What is the molecular formula of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate?
The molecular formula of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate is C13H12F3N3O2S.
What is the molecular weight of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate?
The molecular weight of Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate is 331.06024 g/mol.
Where can I buy Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate?
You can request a quote for Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-aza-4-(benzothiazol-2-ylamino)-3-(trifluoromethyl)but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.